SCHEMBL12499329

SCHEMBL12499329

CS(=O)(=O)Nc1cccc(-c2nc(NCC(=O)O)nc(N3CCOCC3)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.72
CYP1A2 P05177 5/20 0.60
CYP3A4 P08684 4/20 0.60
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
RECQL P46063 1/20 0.60
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.54
MTOR P42345 3/20 0.52
PIK3CG P48736 2/20 0.52
PIK3C2B O00750 1/20 0.48
CYP2D6 P10635 3/20 0.47
USP2 O75604 1/20 0.47
CYP2C19 P33261 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12499669 0.88 PIK3CA (0.78) PIK3CALMNATSHRMEN1KMT2A
SCHEMBL15386542 0.85 PIK3CA (0.80) PIK3CALMNATSHRMEN1KMT2A
SCHEMBL18193245 0.85 CYP1A2 (0.59) PIK3CACYP1A2CYP3A4LMNATSHR
SCHEMBL12499391 0.85 CYP1A2 (0.59) PIK3CACYP1A2CYP3A4LMNATSHR
SCHEMBL12499356 0.84 PIK3CA (0.82) PIK3CALMNAMTORPIK3CG
SCHEMBL12498708 0.84 PIK3CA (1.00) PIK3CAKMT2AMTOR
SCHEMBL18193254 0.84 PIK3CA (0.81) PIK3CAMEN1KMT2AMTORPIK3CG
SCHEMBL12499065 0.83 PIK3CA (0.80) PIK3CALMNAMEN1KMT2AMTOR
SCHEMBL12499370 0.82 PIK3CA (0.75) PIK3CACYP1A2CYP3A4TSHRMAPK1
SCHEMBL18193242 0.80 PIK3CA (0.75) PIK3CALMNAMEN1KMT2AMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US claimed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US claimed
WO-2012101654-A2 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-08-02 WO claimed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US disclosed
WO-2012101654-A2 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-08-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS MTOR, MAPKAP1, PIK3R5 PIK3CA 13/4885CYP1A2 2634/4885CYP3A4 3535/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.